1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol

C18H27FOSi — CID 123904878

IUPAC1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#CC(O)c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C18H27FOSi/c1-13(2)21(14(3)4,15(5)6)12-11-18(20)16-9-7-8-10-17(16)19/h7-10,13-15,18,20H,1-6H3
InChIKeyFVTQSSSRRCYTFY-UHFFFAOYSA-N
MW306.50 g/mol
LogP5.08
Rot. Bonds4

About 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol

1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol (PubChem CID 123904878) has the molecular formula C18H27FOSi and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
PubChem CID123904878
Molecular FormulaC18H27FOSi
Molecular Weight306.50 g/mol
Exact Mass306.18
IUPAC Name1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
SMILESCC(C)[Si](C#CC(O)c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C18H27FOSi/c1-13(2)21(14(3)4,15(5)6)12-11-18(20)16-9-7-8-10-17(16)19/h7-10,13-15,18,20H,1-6H3
InChIKeyFVTQSSSRRCYTFY-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 175187393
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
bis(2-fluorophenyl)methanol
CID 18424663
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
1-[2-[2-(4-fluorophenyl)ethynyl]phenyl]-3-trimethylsilylprop-2-yn-1-ol
CID 71566924
1-(2-methylphenyl)-3-triethylsilylprop-2-yn-1-ol
CID 102212351
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
4-(2-fluorophenyl)-4-hydroxy-3-methylbutanenitrile
CID 82111982
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol (CID 123904878) is 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol is CC(C)[Si](C#CC(O)c1ccccc1F)(C(C)C)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
The InChIKey is FVTQSSSRRCYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FOSi/c1-13(2)21(14(3)4,15(5)6)12-11-18(20)16-9-7-8-10-17(16)19/h7-10,13-15,18,20H,1-6H3.
What are the key properties of 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol?
1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol has a molecular weight of 306.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol is sourced from PubChem (CID 123904878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).